NMR paper Controlled Ligand Exchange Between Ruthenium Organometallic Cofactor Precursors and a Naïve Protein Scaffold Generates Artificial Metalloenzymes Catalysing Transfer Hydrogenation

		BioNMR > Educational resources > Journal club
[NMR paper] Controlled Ligand Exchange Between Ruthenium Organometallic Cofactor Precursors and a Naïve Protein Scaffold Generates Artificial Metalloenzymes Catalysing Transfer Hydrogenation

Webservers

NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

GeNMR

I-TASSER

Refinement:

Amber

Structure from chemical shifts:

Fragment-based:

Homology-based:

Torsion angles from chemical shifts:

Preditor

TALOS

Promega- Proline

Secondary structure from chemical shifts:

CSI (via RCI server)

TALOS

MICS caps, β-turns

d2D

PECAN

Flexibility from chemical shifts:

RCI

Interactions from chemical shifts:

HADDOCK

Chemical shifts re-referencing:

NMR model quality:

NOEs, other restraints:

Chemical shifts:

RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

Quality Control Check

NMR spectrum prediction:

FANDAS

MestReS

V-NMR

Flexibility from structure:

Backbone S2

Methyl S2

B-factor

Molecular dynamics:

Gromacs

Amber

Antechamber

Chemical shifts prediction:

From structure:

Shiftx2

Sparta+

Camshift

CH3shift- Methyl

ArShift- Aromatic

ShiftS

Proshift

PPM

CheShift-2- Cα

From sequence:

Shifty

Camcoil

Poulsen_rc_CS

Disordered proteins:

MAXOCC

Format conversion & validation:

CCPN

From NMR-STAR 3.1

Validate NMR-STAR 3.1

NMR sample preparation:

Protein disorder:

DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

View First Unread

Thread Tools

Search this Thread

Rate Thread

Display Modes

02-24-2021, 05:50 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,175

Points: 193,617, Level: 100

Level up: 0%, 0 Points needed

Activity: 50.7%

Last Achievements

Award-Showcase

NMR Credits: 0

NMR Points: 193,617

Downloads: 0

Uploads: 0

Controlled Ligand Exchange Between Ruthenium Organometallic Cofactor Precursors and a Naïve Protein Scaffold Generates Artificial Metalloenzymes Catalysing Transfer Hydrogenation

Controlled Ligand Exchange Between Ruthenium Organometallic Cofactor Precursors and a Naïve Protein Scaffold Generates Artificial Metalloenzymes Catalysing Transfer Hydrogenation

Angewandte Chemie International Edition, Accepted Article.

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[NMR paper] Multi-Quantum Chemical Exchange Saturation Transfer NMR to Quantify Symmetrical Exchange: Application to Rotational Dynamics of the Guanidinium Group in Arginine Side Chains. Multi-Quantum Chemical Exchange Saturation Transfer NMR to Quantify Symmetrical Exchange: Application to Rotational Dynamics of the Guanidinium Group in Arginine Side Chains. http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-pubmed-acspubs.jpg Related Articles Multi-Quantum Chemical Exchange Saturation Transfer NMR to Quantify Symmetrical Exchange: Application to Rotational Dynamics of the Guanidinium Group in Arginine Side Chains. J Phys Chem Lett. 2020 Jun 16;: Authors: Karunanithy G, Reinstein J, Hansen...	nmrlearner	Journal club	0	06-18-2020 03:07 AM
3-O-Methyl- d -glucose mutarotation and proton exchange rates assessed by 13 C, 1 H NMR and by chemical exchange saturation transfer and spin lock measurements 3-O-Methyl- d -glucose mutarotation and proton exchange rates assessed by 13 C, 1 H NMR and by chemical exchange saturation transfer and spin lock measurements Abstract 3-O-Methyl-d-glucose (3OMG) was recently suggested as an agent to image tumors using chemical exchange saturation transfer (CEST) MRI. To characterize the properties of 3OMG in solution, the anomeric equilibrium and the mutarotation rates of 3OMG were studied by 1H and 13C NMR. This information is essential in designing the in vivo CEST experiments. At room temperature, the ratio...	nmrlearner	Journal club	0	11-25-2018 06:02 AM
Binding and Energetics of Electron Transfer betweenan Artificial Four-Helix Mn-Protein and Reaction Centers from Rhodobacter sphaeroides Binding and Energetics of Electron Transfer betweenan Artificial Four-Helix Mn-Protein and Reaction Centers from Rhodobacter sphaeroides http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/bichaw/0/bichaw.ahead-of-print/acs.biochem.7b00978/20171128/images/medium/bi-2017-00978p_0011.gif Biochemistry DOI: 10.1021/acs.biochem.7b00978 http://feeds.feedburner.com/~ff/acs/bichaw?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/bichaw/~4/BzbxrJbQOg0 More...	nmrlearner	Journal club	0	11-29-2017 09:22 AM
Surface ligand-directed pair-wise hydrogenation for heterogeneous phase hyperpolarization From The DNP-NMR Blog: Surface ligand-directed pair-wise hydrogenation for heterogeneous phase hyperpolarization Gloggler, S., et al., Surface ligand-directed pair-wise hydrogenation for heterogeneous phase hyperpolarization. Chem Commun (Camb), 2016. 52(3): p. 605-8. http://www.ncbi.nlm.nih.gov/pubmed/26553609	nmrlearner	News from NMR blogs	0	03-14-2016 11:01 PM
[NMR paper] Transfer Rate Edited Experiment for the Selective Detection of Chemical Exchange via Saturaion Transfer (TRE-CEST) Transfer Rate Edited Experiment for the Selective Detection of Chemical Exchange via Saturaion Transfer (TRE-CEST) Publication date: Available online 7 May 2015 Source:Journal of Magnetic Resonance</br> Author(s): Joshua I. Friedman , Ding Xia , Ravinder R. Regatte , Alexej Jerschow</br> Chemical Exchange Saturation Transfer (CEST) magnetic resonance experiments have become valuable tools in magnetic resonance for the detection of low concentration solutes with far greater sensitivity than direct detection methods. Accurate measures of rates of chemical exchange...	nmrlearner	Journal club	0	05-10-2015 07:49 PM
[NMR paper] Analysis of ligand-protein exchange by Clustering of Ligand Diffusion Coefficient Pairs (CoLD-CoP) Analysis of ligand-protein exchange by Clustering of Ligand Diffusion Coefficient Pairs (CoLD-CoP) Publication date: Available online 23 March 2015 Source:Journal of Magnetic Resonance</br> Author(s): David S. Snyder , Mihaela Chantova , Saadia Chaudhry</br> NMR spectroscopy is a powerful tool in describing protein structures and protein activity for pharmaceutical and biochemical development. This study describes a method to determine weak binding ligands in biological systems by using hierarchic diffusion coefficient clustering of multidimensional data obtained...	nmrlearner	Journal club	0	03-25-2015 10:15 AM
[NMR paper] Artificial heme-proteins: determination of axial ligand orientations through paramagnetic NMR shifts. Artificial heme-proteins: determination of axial ligand orientations through paramagnetic NMR shifts. Related Articles Artificial heme-proteins: determination of axial ligand orientations through paramagnetic NMR shifts. Chem Commun (Camb). 2014 Mar 3; Authors: Vicari C, Saraiva IH, Maglio O, Nastri F, Pavone V, Louro RO, Lombardi A Abstract An empirical equation, describing the relationship between the porphyrin methyl hyperfine shifts and the position of the axial ligand(s), has been applied to an artificial heme-protein in order to...	nmrlearner	Journal club	0	03-04-2014 06:37 PM
[NMR paper] Probing Slow Chemical Exchange at Carbonyl Sites in Proteins by Chemical Exchange Saturation Transfer NMR Spectroscopy. Probing Slow Chemical Exchange at Carbonyl Sites in Proteins by Chemical Exchange Saturation Transfer NMR Spectroscopy. Probing Slow Chemical Exchange at Carbonyl Sites in Proteins by Chemical Exchange Saturation Transfer NMR Spectroscopy. Angew Chem Int Ed Engl. 2013 Feb 28; Authors: Vallurupalli P, Kay LE Abstract Seeing the invisible: A 13 CO NMR chemical exchange saturation transfer (CEST) experiment for the study of "invisible" excited protein states with lifetimes on the order of 5-50 ms has been developed. The 13 CO chemical...	nmrlearner	Journal club	0	03-02-2013 11:45 AM

« Previous Thread | Next Thread »

Posting Rules
You may not post new threads You may not post replies You may not post attachments You may not edit your posts BB code is On Smilies are On [IMG] code is On HTML code is On Trackbacks are Off Pingbacks are Off Refbacks are Off